8-[(2E)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2E)-2-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(N'E)-N'-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-xanthine Formula: C18H17BrN6O2 MolecularWeight: 429.27058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C(=C/C3=CC=CC=C3)/Br)CC=C

InChI

InChI=1S/C18H17BrN6O2/c1-3-9-25-14-15(24(2)18(27)22-16(14)26)21-17(25)23-20-11-13(19)10-12-7-5-4-6-8-12/h3-8,10-11H,1,9H2,2H3,(H,21,23)(H,22,26,27)/b13-10-,20-11+